SCHEMBL12001458

SCHEMBL12001458

Cc1nn(-c2ccnc(N)n2)c2cc(C(C)(O)c3cncs3)ccc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 11/20 0.40
▸ PAK4 O96013 1/20 0.38
▸ PIKFYVE Q9Y2I7 1/20 0.38
▸ MAP3K14 Q99558 3/20 0.36
▸ TTBK2 Q6IQ55 2/20 0.36
▸ CDC7 O00311 2/20 0.34
▸ CDK2 P24941 2/20 0.34
▸ CYP11B1 P15538 3/20 0.34
▸ CYP11B2 P19099 3/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.32
▸ CYP19A1 P11511 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ ROCK1 Q13464 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12001568 0.83 MAP3K14 (0.42) TTBK1PAK4PIKFYVEMAP3K14TTBK2
SCHEMBL12001425 0.83 MAP3K14 (0.42) TTBK1PAK4PIKFYVEMAP3K14TTBK2
SCHEMBL12001452 0.83 MAP3K14 (0.42) TTBK1PAK4PIKFYVEMAP3K14TTBK2
SCHEMBL11970602 0.83 PAK4 (0.52) TTBK1PAK4PIKFYVEMAP3K14TTBK2
SCHEMBL12523637 0.83 TTBK1 (0.41) TTBK1PAK4PIKFYVEMAP3K14TTBK2
SCHEMBL12001595 0.83 TTBK1 (0.41) TTBK1PAK4PIKFYVEMAP3K14TTBK2
SCHEMBL12001582 0.83 TTBK1 (0.41) TTBK1PAK4PIKFYVEMAP3K14TTBK2
SCHEMBL12001676 0.79 TTBK1 (0.41) TTBK1PAK4PIKFYVEMAP3K14TTBK2
SCHEMBL12001471 0.79 TTBK1 (0.41) TTBK1PAK4PIKFYVEMAP3K14TTBK2
SCHEMBL12001824 0.79 TTBK1 (0.41) TTBK1PAK4PIKFYVEMAP3K14TTBK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR GENENTECH, INC. (US) 2012-08-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120214762-A1 6,5-HETEROCYCLIC PROPARGYLIC ALCOHOL COMPOUNDS AND USES THEREFOR NFKB1, NFRKB, NFKBIA TTBK1 915/4885PAK4 1856/4885PIKFYVE 3647/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback